SmIn(NiH4)2
Alexandria ALEXAlex-ID: agm007449770 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_14_spg1
InH2 Sm(NiH3)2
2024-07-09 21:01:02.762756
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007449770).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm007449770
data_agm007449770
_cell_length_a 4.82137
_cell_length_b 4.82137
_cell_length_c 5.90503
_cell_angle_alpha 73.10801
_cell_angle_beta 73.10801
_cell_angle_gamma 53.64393
_cell_volume 104.52291
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sm1 Sm 0.49187 0.50813 0.00000 1.00000
In1 In 0.97289 0.02711 0.50000 1.00000
Ni1 Ni 0.33054 0.19339 0.67021 1.00000
Ni2 Ni 0.80661 0.66946 0.32979 1.00000
H1 H 0.90170 0.92663 0.14495 1.00000
H2 H 0.57413 0.80568 0.59474 1.00000
H3 H 0.07337 0.09830 0.85505 1.00000
H4 H 0.19432 0.42587 0.40526 1.00000
H5 H 0.18235 0.56748 0.73537 1.00000
H6 H 0.97297 0.43605 0.13331 1.00000
H7 H 0.56395 0.02703 0.86669 1.00000
H8 H 0.43252 0.81765 0.26463 1.00000
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